Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate
TL;DR: Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate (CAS 392727-55-8) is a chemical compound with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate
Also Known As: ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate, Ethyl 3-(4H-1,2,4-triazol-4-ylamino)-2-butenoate
| Molecular Formula | C8H12N4O2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 0.2885 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.09602 |
| Heavy Atoms | 14 |
| Complexity | 318.0921 |
Chemical Identifiers
| CAS Number | 392727-55-8 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NN1C=NN=C1 |
Product Overview
Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate (CAS 392727-55-8), with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol. IUPAC: ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate.
Chemical Property Profile of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate
Property Insights of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate
The XLogP value of 0.2885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate?
The CAS number of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate is 392727-55-8.
What is the molecular formula of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate?
The molecular formula of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate is C8H12N4O2.
What is the molecular weight of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate?
The molecular weight of Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate is 196.10 g/mol.
Where can I buy Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate?
You can request a quote for Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,2,4-triazol-4-ylamino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.